USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 589 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 ASN : amide:sc= -2.11! C(o=-7.1!,f=-4!) USER MOD Set 1.2: A 77 SER OG : rot -86:sc= -4.99! USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0654 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= -1.17 K(o=-1.2,f=-0.15) USER MOD Single : A 30 THR OG1 : rot -168:sc= -2.79 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.992 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 73:sc= 0.898 USER MOD Single : A 60 GLN : amide:sc=-0.00597 X(o=-0.006,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.33 K(o=-0.33,f=-2.4!) USER MOD Single : A 65 MET CE :methyl -119:sc= -2.33! (180deg=-9.52!) USER MOD Single : A 67 HIS : no HE2:sc= -0.519 X(o=-0.52,f=-0.026) USER MOD Single : A 71 GLN : amide:sc= -1.11 K(o=-1.1,f=-3.3!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.0205 X(o=-0.021,f=-0.053) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -2.393 13.188 3.067 1.00 0.00 N ATOM 60 CA GLY A 7 -1.914 11.889 2.626 1.00 0.00 C ATOM 61 C GLY A 7 -1.164 11.171 3.750 1.00 0.00 C ATOM 62 O GLY A 7 -0.305 11.761 4.404 1.00 0.00 O ATOM 0 HA2 GLY A 7 -2.756 11.279 2.298 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.256 12.013 1.766 1.00 0.00 H new ATOM 66 N LEU A 8 -1.516 9.908 3.941 1.00 0.00 N ATOM 67 CA LEU A 8 -0.888 9.104 4.974 1.00 0.00 C ATOM 68 C LEU A 8 -0.102 7.965 4.321 1.00 0.00 C ATOM 69 O LEU A 8 -0.386 7.581 3.187 1.00 0.00 O ATOM 70 CB LEU A 8 -1.928 8.629 5.991 1.00 0.00 C ATOM 71 CG LEU A 8 -1.877 7.144 6.359 1.00 0.00 C ATOM 72 CD1 LEU A 8 -2.490 6.901 7.739 1.00 0.00 C ATOM 73 CD2 LEU A 8 -2.541 6.289 5.278 1.00 0.00 C ATOM 0 H LEU A 8 -2.229 9.422 3.397 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.173 9.702 5.539 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.808 9.213 6.903 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.920 8.852 5.598 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.832 6.840 6.413 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.441 5.838 7.977 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.935 7.466 8.488 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.531 7.225 7.737 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.491 5.238 5.564 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.584 6.586 5.168 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.021 6.432 4.331 1.00 0.00 H new ATOM 85 N THR A 9 0.870 7.457 5.064 1.00 0.00 N ATOM 86 CA THR A 9 1.699 6.370 4.571 1.00 0.00 C ATOM 87 C THR A 9 1.479 5.109 5.409 1.00 0.00 C ATOM 88 O THR A 9 0.964 5.183 6.524 1.00 0.00 O ATOM 89 CB THR A 9 3.152 6.849 4.563 1.00 0.00 C ATOM 90 OG1 THR A 9 3.174 7.875 3.575 1.00 0.00 O ATOM 91 CG2 THR A 9 4.115 5.790 4.022 1.00 0.00 C ATOM 0 H THR A 9 1.102 7.778 6.004 1.00 0.00 H new ATOM 0 HA THR A 9 1.427 6.096 3.552 1.00 0.00 H new ATOM 0 HB THR A 9 3.448 7.126 5.575 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.080 8.243 3.505 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.132 6.181 4.038 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.060 4.896 4.644 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.840 5.537 2.998 1.00 0.00 H new ATOM 99 N VAL A 10 1.880 3.982 4.841 1.00 0.00 N ATOM 100 CA VAL A 10 1.734 2.707 5.522 1.00 0.00 C ATOM 101 C VAL A 10 3.107 2.045 5.659 1.00 0.00 C ATOM 102 O VAL A 10 3.977 2.233 4.810 1.00 0.00 O ATOM 103 CB VAL A 10 0.720 1.832 4.783 1.00 0.00 C ATOM 104 CG1 VAL A 10 0.313 0.626 5.632 1.00 0.00 C ATOM 105 CG2 VAL A 10 -0.506 2.646 4.365 1.00 0.00 C ATOM 0 H VAL A 10 2.306 3.925 3.916 1.00 0.00 H new ATOM 0 HA VAL A 10 1.343 2.855 6.529 1.00 0.00 H new ATOM 0 HB VAL A 10 1.199 1.458 3.878 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.408 0.021 5.083 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.194 0.025 5.856 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.137 0.971 6.563 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.211 2.000 3.842 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.985 3.063 5.251 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.197 3.456 3.704 1.00 0.00 H new ATOM 115 N ASP A 11 3.257 1.284 6.733 1.00 0.00 N ATOM 116 CA ASP A 11 4.510 0.594 6.991 1.00 0.00 C ATOM 117 C ASP A 11 4.221 -0.872 7.317 1.00 0.00 C ATOM 118 O ASP A 11 4.061 -1.233 8.483 1.00 0.00 O ATOM 119 CB ASP A 11 5.241 1.209 8.186 1.00 0.00 C ATOM 120 CG ASP A 11 4.335 1.846 9.241 1.00 0.00 C ATOM 121 OD1 ASP A 11 3.180 1.382 9.352 1.00 0.00 O ATOM 122 OD2 ASP A 11 4.818 2.783 9.913 1.00 0.00 O ATOM 0 H ASP A 11 2.532 1.130 7.434 1.00 0.00 H new ATOM 0 HA ASP A 11 5.134 0.683 6.102 1.00 0.00 H new ATOM 0 HB2 ASP A 11 5.840 0.434 8.664 1.00 0.00 H new ATOM 0 HB3 ASP A 11 5.933 1.966 7.818 1.00 0.00 H new ATOM 127 N VAL A 12 4.163 -1.679 6.268 1.00 0.00 N ATOM 128 CA VAL A 12 3.897 -3.098 6.428 1.00 0.00 C ATOM 129 C VAL A 12 5.129 -3.780 7.025 1.00 0.00 C ATOM 130 O VAL A 12 6.244 -3.277 6.898 1.00 0.00 O ATOM 131 CB VAL A 12 3.467 -3.704 5.090 1.00 0.00 C ATOM 132 CG1 VAL A 12 2.866 -5.097 5.287 1.00 0.00 C ATOM 133 CG2 VAL A 12 2.489 -2.783 4.360 1.00 0.00 C ATOM 0 H VAL A 12 4.296 -1.377 5.303 1.00 0.00 H new ATOM 0 HA VAL A 12 3.071 -3.256 7.121 1.00 0.00 H new ATOM 0 HB VAL A 12 4.356 -3.808 4.468 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.569 -5.505 4.321 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.607 -5.752 5.745 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.993 -5.028 5.936 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.200 -3.237 3.412 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.602 -2.632 4.976 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.967 -1.822 4.170 1.00 0.00 H new ATOM 143 N ALA A 13 4.887 -4.915 7.665 1.00 0.00 N ATOM 144 CA ALA A 13 5.963 -5.671 8.282 1.00 0.00 C ATOM 145 C ALA A 13 6.028 -7.064 7.653 1.00 0.00 C ATOM 146 O ALA A 13 5.274 -7.957 8.034 1.00 0.00 O ATOM 147 CB ALA A 13 5.747 -5.724 9.796 1.00 0.00 C ATOM 0 H ALA A 13 3.961 -5.329 7.769 1.00 0.00 H new ATOM 0 HA ALA A 13 6.923 -5.185 8.107 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.554 -6.291 10.259 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.738 -4.711 10.198 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.794 -6.208 10.011 1.00 0.00 H new ATOM 153 N GLY A 14 6.937 -7.205 6.699 1.00 0.00 N ATOM 154 CA GLY A 14 7.110 -8.475 6.013 1.00 0.00 C ATOM 155 C GLY A 14 7.355 -9.608 7.011 1.00 0.00 C ATOM 156 O GLY A 14 7.177 -9.429 8.215 1.00 0.00 O ATOM 0 H GLY A 14 7.561 -6.462 6.385 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.223 -8.695 5.418 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.949 -8.407 5.321 1.00 0.00 H new ATOM 160 N PRO A 15 7.770 -10.780 6.460 1.00 0.00 N ATOM 161 CA PRO A 15 7.956 -10.907 5.024 1.00 0.00 C ATOM 162 C PRO A 15 6.610 -11.005 4.303 1.00 0.00 C ATOM 163 O PRO A 15 5.567 -10.707 4.885 1.00 0.00 O ATOM 164 CB PRO A 15 8.816 -12.148 4.847 1.00 0.00 C ATOM 165 CG PRO A 15 8.693 -12.929 6.145 1.00 0.00 C ATOM 166 CD PRO A 15 8.073 -12.010 7.185 1.00 0.00 C ATOM 0 HA PRO A 15 8.442 -10.036 4.584 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.474 -12.742 4.000 1.00 0.00 H new ATOM 0 HB3 PRO A 15 9.854 -11.879 4.650 1.00 0.00 H new ATOM 0 HG2 PRO A 15 8.074 -13.814 6.001 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.672 -13.275 6.477 1.00 0.00 H new ATOM 0 HD2 PRO A 15 7.172 -12.449 7.614 1.00 0.00 H new ATOM 0 HD3 PRO A 15 8.761 -11.824 8.010 1.00 0.00 H new ATOM 174 N ALA A 16 6.676 -11.423 3.048 1.00 0.00 N ATOM 175 CA ALA A 16 5.475 -11.564 2.242 1.00 0.00 C ATOM 176 C ALA A 16 4.914 -12.977 2.413 1.00 0.00 C ATOM 177 O ALA A 16 5.597 -13.862 2.926 1.00 0.00 O ATOM 178 CB ALA A 16 5.799 -11.237 0.783 1.00 0.00 C ATOM 0 H ALA A 16 7.542 -11.669 2.569 1.00 0.00 H new ATOM 0 HA ALA A 16 4.707 -10.863 2.570 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.899 -11.343 0.178 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.166 -10.213 0.712 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.564 -11.922 0.418 1.00 0.00 H new ATOM 184 N PRO A 17 3.644 -13.150 1.960 1.00 0.00 N ATOM 185 CA PRO A 17 2.905 -12.049 1.364 1.00 0.00 C ATOM 186 C PRO A 17 2.427 -11.066 2.435 1.00 0.00 C ATOM 187 O PRO A 17 2.636 -11.291 3.626 1.00 0.00 O ATOM 188 CB PRO A 17 1.762 -12.706 0.608 1.00 0.00 C ATOM 189 CG PRO A 17 1.629 -14.105 1.186 1.00 0.00 C ATOM 190 CD PRO A 17 2.879 -14.392 2.003 1.00 0.00 C ATOM 0 HA PRO A 17 3.516 -11.448 0.691 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.837 -12.143 0.732 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.971 -12.743 -0.461 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.739 -14.177 1.811 1.00 0.00 H new ATOM 0 HG3 PRO A 17 1.518 -14.839 0.388 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.628 -14.667 3.027 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.446 -15.221 1.580 1.00 0.00 H new ATOM 198 N TRP A 18 1.795 -9.998 1.972 1.00 0.00 N ATOM 199 CA TRP A 18 1.286 -8.980 2.876 1.00 0.00 C ATOM 200 C TRP A 18 -0.104 -9.415 3.343 1.00 0.00 C ATOM 201 O TRP A 18 -0.332 -9.597 4.538 1.00 0.00 O ATOM 202 CB TRP A 18 1.288 -7.603 2.208 1.00 0.00 C ATOM 203 CG TRP A 18 2.567 -7.291 1.429 1.00 0.00 C ATOM 204 CD1 TRP A 18 2.720 -7.189 0.101 1.00 0.00 C ATOM 205 CD2 TRP A 18 3.875 -7.044 1.987 1.00 0.00 C ATOM 206 NE1 TRP A 18 4.026 -6.895 -0.236 1.00 0.00 N ATOM 207 CE2 TRP A 18 4.750 -6.804 0.947 1.00 0.00 C ATOM 208 CE3 TRP A 18 4.304 -7.024 3.325 1.00 0.00 C ATOM 209 CZ2 TRP A 18 6.109 -6.526 1.138 1.00 0.00 C ATOM 210 CZ3 TRP A 18 5.665 -6.745 3.499 1.00 0.00 C ATOM 211 CH2 TRP A 18 6.559 -6.501 2.463 1.00 0.00 C ATOM 0 H TRP A 18 1.624 -9.815 0.983 1.00 0.00 H new ATOM 0 HA TRP A 18 1.932 -8.881 3.749 1.00 0.00 H new ATOM 0 HB2 TRP A 18 0.437 -7.538 1.530 1.00 0.00 H new ATOM 0 HB3 TRP A 18 1.145 -6.839 2.973 1.00 0.00 H new ATOM 0 HD1 TRP A 18 1.922 -7.320 -0.615 1.00 0.00 H new ATOM 0 HE1 TRP A 18 4.392 -6.768 -1.179 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.637 -7.209 4.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 6.774 -6.341 0.308 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 6.047 -6.717 4.509 1.00 0.00 H new ATOM 0 HH2 TRP A 18 7.596 -6.293 2.680 1.00 0.00 H new ATOM 222 N GLY A 19 -0.997 -9.571 2.377 1.00 0.00 N ATOM 223 CA GLY A 19 -2.358 -9.981 2.675 1.00 0.00 C ATOM 224 C GLY A 19 -3.359 -8.894 2.277 1.00 0.00 C ATOM 225 O GLY A 19 -4.347 -8.670 2.974 1.00 0.00 O ATOM 0 H GLY A 19 -0.804 -9.421 1.387 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.588 -10.904 2.143 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.452 -10.195 3.740 1.00 0.00 H new ATOM 229 N PHE A 20 -3.068 -8.248 1.157 1.00 0.00 N ATOM 230 CA PHE A 20 -3.929 -7.190 0.659 1.00 0.00 C ATOM 231 C PHE A 20 -3.980 -7.199 -0.871 1.00 0.00 C ATOM 232 O PHE A 20 -3.032 -7.632 -1.524 1.00 0.00 O ATOM 233 CB PHE A 20 -3.327 -5.864 1.129 1.00 0.00 C ATOM 234 CG PHE A 20 -2.114 -5.408 0.315 1.00 0.00 C ATOM 235 CD1 PHE A 20 -2.286 -4.888 -0.929 1.00 0.00 C ATOM 236 CD2 PHE A 20 -0.864 -5.523 0.837 1.00 0.00 C ATOM 237 CE1 PHE A 20 -1.160 -4.465 -1.684 1.00 0.00 C ATOM 238 CE2 PHE A 20 0.262 -5.100 0.083 1.00 0.00 C ATOM 239 CZ PHE A 20 0.090 -4.580 -1.162 1.00 0.00 C ATOM 0 H PHE A 20 -2.248 -8.437 0.581 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.944 -7.331 1.031 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -4.094 -5.091 1.082 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.035 -5.960 2.175 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.279 -4.796 -1.343 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.728 -5.936 1.825 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.297 -4.052 -2.673 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.255 -5.191 0.498 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.947 -4.258 -1.736 1.00 0.00 H new ATOM 249 N ARG A 21 -5.096 -6.717 -1.397 1.00 0.00 N ATOM 250 CA ARG A 21 -5.283 -6.664 -2.837 1.00 0.00 C ATOM 251 C ARG A 21 -5.324 -5.211 -3.314 1.00 0.00 C ATOM 252 O ARG A 21 -5.159 -4.288 -2.518 1.00 0.00 O ATOM 253 CB ARG A 21 -6.579 -7.365 -3.250 1.00 0.00 C ATOM 254 CG ARG A 21 -6.395 -8.884 -3.282 1.00 0.00 C ATOM 255 CD ARG A 21 -7.257 -9.518 -4.375 1.00 0.00 C ATOM 256 NE ARG A 21 -6.434 -10.423 -5.208 1.00 0.00 N ATOM 257 CZ ARG A 21 -6.921 -11.182 -6.198 1.00 0.00 C ATOM 258 NH1 ARG A 21 -8.230 -11.152 -6.485 1.00 0.00 N ATOM 259 NH2 ARG A 21 -6.100 -11.973 -6.902 1.00 0.00 N ATOM 0 H ARG A 21 -5.880 -6.359 -0.852 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.441 -7.179 -3.300 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.375 -7.106 -2.552 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.890 -7.012 -4.233 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.346 -9.123 -3.457 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.661 -9.307 -2.313 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.080 -10.073 -3.924 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.700 -8.740 -4.997 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.433 -10.472 -5.016 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -8.856 -10.551 -5.949 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -8.600 -11.730 -7.239 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.104 -11.997 -6.684 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.471 -12.551 -7.656 1.00 0.00 H new ATOM 273 N ILE A 22 -5.543 -5.054 -4.611 1.00 0.00 N ATOM 274 CA ILE A 22 -5.607 -3.729 -5.204 1.00 0.00 C ATOM 275 C ILE A 22 -6.471 -3.780 -6.465 1.00 0.00 C ATOM 276 O ILE A 22 -6.811 -4.860 -6.946 1.00 0.00 O ATOM 277 CB ILE A 22 -4.199 -3.182 -5.446 1.00 0.00 C ATOM 278 CG1 ILE A 22 -3.428 -4.067 -6.427 1.00 0.00 C ATOM 279 CG2 ILE A 22 -3.447 -3.000 -4.126 1.00 0.00 C ATOM 280 CD1 ILE A 22 -2.330 -3.271 -7.137 1.00 0.00 C ATOM 0 H ILE A 22 -5.678 -5.822 -5.268 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.084 -3.028 -4.519 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.290 -2.197 -5.904 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.985 -4.908 -5.893 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.115 -4.483 -7.164 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.449 -2.610 -4.327 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.990 -2.299 -3.492 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.366 -3.961 -3.618 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.797 -3.923 -7.829 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.779 -2.445 -7.690 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.631 -2.877 -6.399 1.00 0.00 H new ATOM 292 N SER A 23 -6.803 -2.599 -6.965 1.00 0.00 N ATOM 293 CA SER A 23 -7.621 -2.496 -8.161 1.00 0.00 C ATOM 294 C SER A 23 -7.193 -1.280 -8.985 1.00 0.00 C ATOM 295 O SER A 23 -6.289 -0.545 -8.591 1.00 0.00 O ATOM 296 CB SER A 23 -9.106 -2.400 -7.806 1.00 0.00 C ATOM 297 OG SER A 23 -9.903 -3.276 -8.599 1.00 0.00 O ATOM 0 H SER A 23 -6.520 -1.705 -6.563 1.00 0.00 H new ATOM 0 HA SER A 23 -7.474 -3.399 -8.754 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.243 -2.640 -6.752 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.446 -1.374 -7.946 1.00 0.00 H new ATOM 0 HG SER A 23 -10.844 -3.186 -8.341 1.00 0.00 H new ATOM 303 N GLY A 24 -7.863 -1.104 -10.115 1.00 0.00 N ATOM 304 CA GLY A 24 -7.564 0.010 -10.997 1.00 0.00 C ATOM 305 C GLY A 24 -6.116 -0.054 -11.489 1.00 0.00 C ATOM 306 O GLY A 24 -5.617 -1.127 -11.824 1.00 0.00 O ATOM 0 H GLY A 24 -8.612 -1.715 -10.439 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.243 -0.004 -11.850 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.732 0.950 -10.471 1.00 0.00 H new ATOM 310 N GLY A 25 -5.482 1.109 -11.518 1.00 0.00 N ATOM 311 CA GLY A 25 -4.102 1.199 -11.963 1.00 0.00 C ATOM 312 C GLY A 25 -4.000 1.972 -13.280 1.00 0.00 C ATOM 313 O GLY A 25 -5.011 2.410 -13.826 1.00 0.00 O ATOM 0 H GLY A 25 -5.899 1.997 -11.240 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.501 1.693 -11.199 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.692 0.197 -12.092 1.00 0.00 H new ATOM 317 N ARG A 26 -2.770 2.116 -13.750 1.00 0.00 N ATOM 318 CA ARG A 26 -2.522 2.828 -14.992 1.00 0.00 C ATOM 319 C ARG A 26 -3.210 2.116 -16.159 1.00 0.00 C ATOM 320 O ARG A 26 -3.714 2.763 -17.076 1.00 0.00 O ATOM 321 CB ARG A 26 -1.023 2.932 -15.279 1.00 0.00 C ATOM 322 CG ARG A 26 -0.768 3.603 -16.629 1.00 0.00 C ATOM 323 CD ARG A 26 -0.220 5.020 -16.442 1.00 0.00 C ATOM 324 NE ARG A 26 -1.319 5.943 -16.080 1.00 0.00 N ATOM 325 CZ ARG A 26 -2.279 6.338 -16.927 1.00 0.00 C ATOM 326 NH1 ARG A 26 -2.282 5.893 -18.191 1.00 0.00 N ATOM 327 NH2 ARG A 26 -3.236 7.179 -16.510 1.00 0.00 N ATOM 0 H ARG A 26 -1.934 1.752 -13.293 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.929 3.833 -14.884 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.537 3.503 -14.488 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -0.578 1.937 -15.274 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -0.060 3.009 -17.207 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -1.695 3.640 -17.202 1.00 0.00 H new ATOM 0 HD2 ARG A 26 0.542 5.024 -15.662 1.00 0.00 H new ATOM 0 HD3 ARG A 26 0.262 5.357 -17.360 1.00 0.00 H new ATOM 0 HE ARG A 26 -1.347 6.301 -15.125 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -1.553 5.254 -18.508 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -3.013 6.194 -18.836 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -3.233 7.518 -15.548 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -3.967 7.480 -17.155 1.00 0.00 H new ATOM 341 N ASP A 27 -3.207 0.793 -16.087 1.00 0.00 N ATOM 342 CA ASP A 27 -3.824 -0.014 -17.125 1.00 0.00 C ATOM 343 C ASP A 27 -5.320 0.303 -17.191 1.00 0.00 C ATOM 344 O ASP A 27 -5.895 0.375 -18.276 1.00 0.00 O ATOM 345 CB ASP A 27 -3.671 -1.507 -16.827 1.00 0.00 C ATOM 346 CG ASP A 27 -3.711 -2.419 -18.054 1.00 0.00 C ATOM 347 OD1 ASP A 27 -2.656 -2.528 -18.716 1.00 0.00 O ATOM 348 OD2 ASP A 27 -4.797 -2.987 -18.304 1.00 0.00 O ATOM 0 H ASP A 27 -2.787 0.260 -15.326 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.331 0.218 -18.069 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.726 -1.663 -16.308 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.464 -1.809 -16.143 1.00 0.00 H new ATOM 353 N PHE A 28 -5.906 0.485 -16.017 1.00 0.00 N ATOM 354 CA PHE A 28 -7.323 0.794 -15.928 1.00 0.00 C ATOM 355 C PHE A 28 -7.550 2.303 -15.819 1.00 0.00 C ATOM 356 O PHE A 28 -8.656 2.747 -15.514 1.00 0.00 O ATOM 357 CB PHE A 28 -7.849 0.118 -14.661 1.00 0.00 C ATOM 358 CG PHE A 28 -7.877 -1.410 -14.736 1.00 0.00 C ATOM 359 CD1 PHE A 28 -6.733 -2.122 -14.552 1.00 0.00 C ATOM 360 CD2 PHE A 28 -9.047 -2.057 -14.987 1.00 0.00 C ATOM 361 CE1 PHE A 28 -6.760 -3.540 -14.623 1.00 0.00 C ATOM 362 CE2 PHE A 28 -9.074 -3.475 -15.057 1.00 0.00 C ATOM 363 CZ PHE A 28 -7.929 -4.186 -14.873 1.00 0.00 C ATOM 0 H PHE A 28 -5.425 0.424 -15.119 1.00 0.00 H new ATOM 0 HA PHE A 28 -7.838 0.441 -16.822 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -7.228 0.419 -13.817 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -8.857 0.480 -14.460 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.804 -1.609 -14.352 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -9.956 -1.492 -15.133 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -5.851 -4.105 -14.478 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -10.003 -3.989 -15.256 1.00 0.00 H new ATOM 0 HZ PHE A 28 -7.949 -5.265 -14.926 1.00 0.00 H new ATOM 373 N HIS A 29 -6.485 3.049 -16.074 1.00 0.00 N ATOM 374 CA HIS A 29 -6.554 4.499 -16.008 1.00 0.00 C ATOM 375 C HIS A 29 -7.183 4.923 -14.679 1.00 0.00 C ATOM 376 O HIS A 29 -7.759 6.005 -14.578 1.00 0.00 O ATOM 377 CB HIS A 29 -7.296 5.063 -17.221 1.00 0.00 C ATOM 378 CG HIS A 29 -6.687 4.677 -18.548 1.00 0.00 C ATOM 379 ND1 HIS A 29 -6.491 5.583 -19.576 1.00 0.00 N ATOM 380 CD2 HIS A 29 -6.231 3.474 -19.002 1.00 0.00 C ATOM 381 CE1 HIS A 29 -5.943 4.943 -20.598 1.00 0.00 C ATOM 382 NE2 HIS A 29 -5.783 3.636 -20.241 1.00 0.00 N ATOM 0 H HIS A 29 -5.570 2.677 -16.327 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.548 4.916 -16.044 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.330 4.719 -17.194 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -7.320 6.150 -17.146 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -6.234 2.547 -18.447 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -5.671 5.379 -21.548 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -5.385 2.904 -20.829 1.00 0.00 H new ATOM 390 N THR A 30 -7.052 4.047 -13.693 1.00 0.00 N ATOM 391 CA THR A 30 -7.601 4.317 -12.375 1.00 0.00 C ATOM 392 C THR A 30 -6.502 4.236 -11.313 1.00 0.00 C ATOM 393 O THR A 30 -5.457 3.627 -11.541 1.00 0.00 O ATOM 394 CB THR A 30 -8.753 3.340 -12.133 1.00 0.00 C ATOM 395 OG1 THR A 30 -8.323 2.135 -12.759 1.00 0.00 O ATOM 396 CG2 THR A 30 -10.019 3.727 -12.899 1.00 0.00 C ATOM 0 H THR A 30 -6.574 3.150 -13.781 1.00 0.00 H new ATOM 0 HA THR A 30 -7.997 5.331 -12.312 1.00 0.00 H new ATOM 0 HB THR A 30 -8.974 3.296 -11.066 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.076 1.511 -12.819 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.806 3.001 -12.692 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.347 4.717 -12.583 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.808 3.739 -13.968 1.00 0.00 H new ATOM 404 N PRO A 31 -6.782 4.874 -10.146 1.00 0.00 N ATOM 405 CA PRO A 31 -5.830 4.879 -9.048 1.00 0.00 C ATOM 406 C PRO A 31 -5.801 3.523 -8.340 1.00 0.00 C ATOM 407 O PRO A 31 -6.832 2.865 -8.210 1.00 0.00 O ATOM 408 CB PRO A 31 -6.280 6.013 -8.142 1.00 0.00 C ATOM 409 CG PRO A 31 -7.726 6.298 -8.517 1.00 0.00 C ATOM 410 CD PRO A 31 -8.009 5.604 -9.840 1.00 0.00 C ATOM 0 HA PRO A 31 -4.804 5.037 -9.382 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.197 5.731 -7.092 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.658 6.897 -8.284 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -8.400 5.933 -7.742 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.893 7.371 -8.605 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -8.861 4.929 -9.759 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.246 6.325 -10.622 1.00 0.00 H new ATOM 418 N ILE A 32 -4.609 3.145 -7.902 1.00 0.00 N ATOM 419 CA ILE A 32 -4.433 1.880 -7.210 1.00 0.00 C ATOM 420 C ILE A 32 -5.172 1.927 -5.871 1.00 0.00 C ATOM 421 O ILE A 32 -4.709 2.562 -4.925 1.00 0.00 O ATOM 422 CB ILE A 32 -2.946 1.543 -7.080 1.00 0.00 C ATOM 423 CG1 ILE A 32 -2.271 1.504 -8.453 1.00 0.00 C ATOM 424 CG2 ILE A 32 -2.745 0.239 -6.305 1.00 0.00 C ATOM 425 CD1 ILE A 32 -2.335 0.099 -9.056 1.00 0.00 C ATOM 0 H ILE A 32 -3.756 3.693 -8.013 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.872 1.066 -7.788 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.465 2.335 -6.507 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.758 2.213 -9.122 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.231 1.817 -8.360 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.680 0.023 -6.227 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.169 0.341 -5.306 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.243 -0.576 -6.829 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.848 0.099 -10.031 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.826 -0.604 -8.396 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.377 -0.201 -9.170 1.00 0.00 H new ATOM 437 N ILE A 33 -6.309 1.248 -5.835 1.00 0.00 N ATOM 438 CA ILE A 33 -7.116 1.205 -4.628 1.00 0.00 C ATOM 439 C ILE A 33 -7.147 -0.227 -4.091 1.00 0.00 C ATOM 440 O ILE A 33 -7.146 -1.184 -4.864 1.00 0.00 O ATOM 441 CB ILE A 33 -8.504 1.794 -4.890 1.00 0.00 C ATOM 442 CG1 ILE A 33 -8.424 3.304 -5.123 1.00 0.00 C ATOM 443 CG2 ILE A 33 -9.473 1.438 -3.760 1.00 0.00 C ATOM 444 CD1 ILE A 33 -9.238 3.713 -6.353 1.00 0.00 C ATOM 0 H ILE A 33 -6.690 0.723 -6.622 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.672 1.828 -3.851 1.00 0.00 H new ATOM 0 HB ILE A 33 -8.897 1.348 -5.804 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.796 3.831 -4.245 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.384 3.600 -5.256 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -10.452 1.869 -3.971 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -9.562 0.354 -3.685 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.096 1.837 -2.818 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.164 4.791 -6.496 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.848 3.203 -7.234 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -10.282 3.437 -6.206 1.00 0.00 H new ATOM 456 N VAL A 34 -7.174 -0.329 -2.770 1.00 0.00 N ATOM 457 CA VAL A 34 -7.205 -1.629 -2.120 1.00 0.00 C ATOM 458 C VAL A 34 -8.638 -2.163 -2.127 1.00 0.00 C ATOM 459 O VAL A 34 -9.585 -1.415 -1.891 1.00 0.00 O ATOM 460 CB VAL A 34 -6.612 -1.525 -0.714 1.00 0.00 C ATOM 461 CG1 VAL A 34 -6.653 -2.878 0.000 1.00 0.00 C ATOM 462 CG2 VAL A 34 -5.187 -0.972 -0.759 1.00 0.00 C ATOM 0 H VAL A 34 -7.175 0.467 -2.132 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.589 -2.344 -2.665 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.224 -0.826 -0.144 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.225 -2.776 0.997 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.686 -3.216 0.081 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.077 -3.607 -0.569 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.789 -0.908 0.254 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.558 -1.634 -1.355 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.196 0.021 -1.208 1.00 0.00 H new ATOM 472 N THR A 35 -8.753 -3.455 -2.401 1.00 0.00 N ATOM 473 CA THR A 35 -10.055 -4.098 -2.442 1.00 0.00 C ATOM 474 C THR A 35 -10.289 -4.910 -1.166 1.00 0.00 C ATOM 475 O THR A 35 -11.335 -4.787 -0.530 1.00 0.00 O ATOM 476 CB THR A 35 -10.127 -4.938 -3.718 1.00 0.00 C ATOM 477 OG1 THR A 35 -9.075 -5.887 -3.570 1.00 0.00 O ATOM 478 CG2 THR A 35 -9.739 -4.142 -4.966 1.00 0.00 C ATOM 0 H THR A 35 -7.966 -4.073 -2.597 1.00 0.00 H new ATOM 0 HA THR A 35 -10.859 -3.362 -2.474 1.00 0.00 H new ATOM 0 HB THR A 35 -11.137 -5.330 -3.837 1.00 0.00 H new ATOM 0 HG1 THR A 35 -9.051 -6.474 -4.354 1.00 0.00 H new ATOM 0 HG21 THR A 35 -9.807 -4.785 -5.843 1.00 0.00 H new ATOM 0 HG22 THR A 35 -10.416 -3.296 -5.083 1.00 0.00 H new ATOM 0 HG23 THR A 35 -8.717 -3.777 -4.862 1.00 0.00 H new ATOM 486 N LYS A 36 -9.298 -5.723 -0.830 1.00 0.00 N ATOM 487 CA LYS A 36 -9.382 -6.554 0.359 1.00 0.00 C ATOM 488 C LYS A 36 -8.183 -6.267 1.264 1.00 0.00 C ATOM 489 O LYS A 36 -7.150 -5.788 0.798 1.00 0.00 O ATOM 490 CB LYS A 36 -9.521 -8.028 -0.028 1.00 0.00 C ATOM 491 CG LYS A 36 -10.694 -8.680 0.708 1.00 0.00 C ATOM 492 CD LYS A 36 -10.285 -10.027 1.307 1.00 0.00 C ATOM 493 CE LYS A 36 -11.479 -10.718 1.968 1.00 0.00 C ATOM 494 NZ LYS A 36 -11.567 -10.348 3.398 1.00 0.00 N ATOM 0 H LYS A 36 -8.433 -5.824 -1.361 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.278 -6.311 0.931 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.670 -8.113 -1.104 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.599 -8.558 0.209 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.045 -8.018 1.499 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.527 -8.822 0.019 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.876 -10.668 0.525 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.494 -9.877 2.042 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.399 -10.436 1.456 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.380 -11.799 1.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.383 -10.826 3.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.696 -10.639 3.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.684 -9.318 3.484 1.00 0.00 H new ATOM 508 N VAL A 37 -8.360 -6.570 2.542 1.00 0.00 N ATOM 509 CA VAL A 37 -7.306 -6.350 3.516 1.00 0.00 C ATOM 510 C VAL A 37 -7.329 -7.477 4.550 1.00 0.00 C ATOM 511 O VAL A 37 -8.180 -7.491 5.439 1.00 0.00 O ATOM 512 CB VAL A 37 -7.453 -4.961 4.142 1.00 0.00 C ATOM 513 CG1 VAL A 37 -6.611 -4.841 5.414 1.00 0.00 C ATOM 514 CG2 VAL A 37 -7.088 -3.866 3.138 1.00 0.00 C ATOM 0 H VAL A 37 -9.218 -6.966 2.925 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.329 -6.372 3.033 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.499 -4.827 4.419 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.733 -3.845 5.839 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.938 -5.587 6.138 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.561 -5.006 5.172 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.201 -2.889 3.608 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.055 -3.997 2.817 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.748 -3.931 2.273 1.00 0.00 H new ATOM 524 N THR A 38 -6.385 -8.395 4.401 1.00 0.00 N ATOM 525 CA THR A 38 -6.288 -9.523 5.311 1.00 0.00 C ATOM 526 C THR A 38 -6.380 -9.048 6.762 1.00 0.00 C ATOM 527 O THR A 38 -5.671 -8.126 7.163 1.00 0.00 O ATOM 528 CB THR A 38 -4.990 -10.272 4.998 1.00 0.00 C ATOM 529 OG1 THR A 38 -5.244 -10.897 3.743 1.00 0.00 O ATOM 530 CG2 THR A 38 -4.743 -11.440 5.954 1.00 0.00 C ATOM 0 H THR A 38 -5.681 -8.380 3.663 1.00 0.00 H new ATOM 0 HA THR A 38 -7.120 -10.213 5.175 1.00 0.00 H new ATOM 0 HB THR A 38 -4.150 -9.579 5.048 1.00 0.00 H new ATOM 0 HG1 THR A 38 -5.248 -10.219 3.035 1.00 0.00 H new ATOM 0 HG21 THR A 38 -3.810 -11.937 5.688 1.00 0.00 H new ATOM 0 HG22 THR A 38 -4.676 -11.066 6.976 1.00 0.00 H new ATOM 0 HG23 THR A 38 -5.566 -12.151 5.881 1.00 0.00 H new ATOM 606 N ALA A 43 -0.544 -6.400 6.348 1.00 0.00 N ATOM 607 CA ALA A 43 -1.008 -5.066 6.008 1.00 0.00 C ATOM 608 C ALA A 43 -1.768 -4.477 7.198 1.00 0.00 C ATOM 609 O ALA A 43 -1.293 -3.543 7.842 1.00 0.00 O ATOM 610 CB ALA A 43 -1.866 -5.131 4.743 1.00 0.00 C ATOM 0 HA ALA A 43 -0.165 -4.408 5.797 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.214 -4.130 4.488 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.272 -5.529 3.920 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.724 -5.780 4.918 1.00 0.00 H new ATOM 616 N GLU A 44 -2.936 -5.047 7.455 1.00 0.00 N ATOM 617 CA GLU A 44 -3.767 -4.590 8.556 1.00 0.00 C ATOM 618 C GLU A 44 -2.900 -4.268 9.776 1.00 0.00 C ATOM 619 O GLU A 44 -3.137 -3.278 10.466 1.00 0.00 O ATOM 620 CB GLU A 44 -4.838 -5.626 8.902 1.00 0.00 C ATOM 621 CG GLU A 44 -5.884 -5.037 9.850 1.00 0.00 C ATOM 622 CD GLU A 44 -6.175 -3.575 9.506 1.00 0.00 C ATOM 623 OE1 GLU A 44 -6.789 -3.355 8.439 1.00 0.00 O ATOM 624 OE2 GLU A 44 -5.778 -2.711 10.316 1.00 0.00 O ATOM 0 H GLU A 44 -3.327 -5.822 6.919 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.278 -3.678 8.246 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.323 -5.972 7.989 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.372 -6.496 9.364 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.804 -5.619 9.789 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.529 -5.109 10.878 1.00 0.00 H new ATOM 631 N ALA A 45 -1.915 -5.124 10.004 1.00 0.00 N ATOM 632 CA ALA A 45 -1.012 -4.943 11.128 1.00 0.00 C ATOM 633 C ALA A 45 -0.590 -3.475 11.207 1.00 0.00 C ATOM 634 O ALA A 45 -0.640 -2.867 12.276 1.00 0.00 O ATOM 635 CB ALA A 45 0.184 -5.886 10.980 1.00 0.00 C ATOM 0 H ALA A 45 -1.722 -5.945 9.430 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.511 -5.193 12.064 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.861 -5.750 11.823 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.167 -6.918 10.959 1.00 0.00 H new ATOM 0 HB3 ALA A 45 0.711 -5.663 10.052 1.00 0.00 H new ATOM 641 N ALA A 46 -0.184 -2.946 10.062 1.00 0.00 N ATOM 642 CA ALA A 46 0.246 -1.560 9.988 1.00 0.00 C ATOM 643 C ALA A 46 -0.970 -0.645 10.136 1.00 0.00 C ATOM 644 O ALA A 46 -1.206 -0.088 11.208 1.00 0.00 O ATOM 645 CB ALA A 46 0.995 -1.327 8.674 1.00 0.00 C ATOM 0 H ALA A 46 -0.144 -3.453 9.178 1.00 0.00 H new ATOM 0 HA ALA A 46 0.934 -1.328 10.801 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.318 -0.287 8.618 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.867 -1.980 8.631 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.335 -1.547 7.835 1.00 0.00 H new ATOM 651 N ASP A 47 -1.712 -0.517 9.046 1.00 0.00 N ATOM 652 CA ASP A 47 -2.898 0.322 9.041 1.00 0.00 C ATOM 653 C ASP A 47 -3.429 0.439 7.611 1.00 0.00 C ATOM 654 O ASP A 47 -3.840 1.517 7.184 1.00 0.00 O ATOM 655 CB ASP A 47 -2.578 1.731 9.544 1.00 0.00 C ATOM 656 CG ASP A 47 -3.598 2.314 10.524 1.00 0.00 C ATOM 657 OD1 ASP A 47 -4.463 1.533 10.975 1.00 0.00 O ATOM 658 OD2 ASP A 47 -3.489 3.529 10.800 1.00 0.00 O ATOM 0 H ASP A 47 -1.514 -0.981 8.159 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.638 -0.136 9.698 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.601 1.715 10.027 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -2.499 2.398 8.685 1.00 0.00 H new ATOM 663 N LEU A 48 -3.402 -0.685 6.910 1.00 0.00 N ATOM 664 CA LEU A 48 -3.875 -0.721 5.536 1.00 0.00 C ATOM 665 C LEU A 48 -5.353 -1.119 5.521 1.00 0.00 C ATOM 666 O LEU A 48 -5.776 -1.977 6.294 1.00 0.00 O ATOM 667 CB LEU A 48 -2.985 -1.630 4.687 1.00 0.00 C ATOM 668 CG LEU A 48 -3.180 -1.535 3.172 1.00 0.00 C ATOM 669 CD1 LEU A 48 -2.756 -0.161 2.649 1.00 0.00 C ATOM 670 CD2 LEU A 48 -2.451 -2.672 2.453 1.00 0.00 C ATOM 0 H LEU A 48 -3.060 -1.577 7.267 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.806 0.268 5.083 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.944 -1.401 4.914 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.158 -2.662 4.992 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.243 -1.647 2.957 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.905 -0.121 1.570 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.357 0.612 3.127 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.703 0.006 2.876 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.606 -2.581 1.378 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.385 -2.616 2.672 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.843 -3.630 2.796 1.00 0.00 H new ATOM 682 N ARG A 49 -6.096 -0.477 4.632 1.00 0.00 N ATOM 683 CA ARG A 49 -7.517 -0.753 4.506 1.00 0.00 C ATOM 684 C ARG A 49 -7.935 -0.725 3.034 1.00 0.00 C ATOM 685 O ARG A 49 -7.263 -0.111 2.206 1.00 0.00 O ATOM 686 CB ARG A 49 -8.348 0.269 5.284 1.00 0.00 C ATOM 687 CG ARG A 49 -8.964 -0.363 6.534 1.00 0.00 C ATOM 688 CD ARG A 49 -9.269 0.700 7.592 1.00 0.00 C ATOM 689 NE ARG A 49 -9.463 0.059 8.912 1.00 0.00 N ATOM 690 CZ ARG A 49 -10.600 -0.535 9.298 1.00 0.00 C ATOM 691 NH1 ARG A 49 -11.651 -0.574 8.468 1.00 0.00 N ATOM 692 NH2 ARG A 49 -10.686 -1.091 10.515 1.00 0.00 N ATOM 0 H ARG A 49 -5.741 0.233 3.992 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.700 -1.744 4.921 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.719 1.112 5.571 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.138 0.663 4.645 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.881 -0.888 6.266 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.280 -1.105 6.946 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -8.451 1.418 7.644 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.164 1.256 7.313 1.00 0.00 H new ATOM 0 HE ARG A 49 -8.682 0.070 9.569 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.586 -0.151 7.542 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -12.517 -1.026 8.762 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.886 -1.062 11.147 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.552 -1.543 10.809 1.00 0.00 H new ATOM 706 N PRO A 50 -9.070 -1.416 2.746 1.00 0.00 N ATOM 707 CA PRO A 50 -9.585 -1.475 1.388 1.00 0.00 C ATOM 708 C PRO A 50 -10.247 -0.154 0.994 1.00 0.00 C ATOM 709 O PRO A 50 -11.210 0.276 1.628 1.00 0.00 O ATOM 710 CB PRO A 50 -10.552 -2.648 1.386 1.00 0.00 C ATOM 711 CG PRO A 50 -10.895 -2.909 2.844 1.00 0.00 C ATOM 712 CD PRO A 50 -9.891 -2.154 3.700 1.00 0.00 C ATOM 0 HA PRO A 50 -8.800 -1.621 0.646 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.447 -2.415 0.810 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.098 -3.527 0.928 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -11.910 -2.577 3.063 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.855 -3.977 3.061 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -10.391 -1.480 4.396 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -9.287 -2.837 4.297 1.00 0.00 H new ATOM 720 N GLY A 51 -9.705 0.455 -0.050 1.00 0.00 N ATOM 721 CA GLY A 51 -10.230 1.719 -0.536 1.00 0.00 C ATOM 722 C GLY A 51 -9.135 2.787 -0.584 1.00 0.00 C ATOM 723 O GLY A 51 -9.201 3.713 -1.390 1.00 0.00 O ATOM 0 H GLY A 51 -8.907 0.096 -0.573 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.653 1.582 -1.531 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.040 2.053 0.112 1.00 0.00 H new ATOM 727 N ASP A 52 -8.154 2.622 0.291 1.00 0.00 N ATOM 728 CA ASP A 52 -7.047 3.560 0.360 1.00 0.00 C ATOM 729 C ASP A 52 -6.401 3.680 -1.022 1.00 0.00 C ATOM 730 O ASP A 52 -5.983 2.681 -1.605 1.00 0.00 O ATOM 731 CB ASP A 52 -5.977 3.078 1.341 1.00 0.00 C ATOM 732 CG ASP A 52 -6.375 3.145 2.817 1.00 0.00 C ATOM 733 OD1 ASP A 52 -6.427 4.279 3.340 1.00 0.00 O ATOM 734 OD2 ASP A 52 -6.620 2.061 3.389 1.00 0.00 O ATOM 0 H ASP A 52 -8.103 1.852 0.958 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.438 4.520 0.696 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.719 2.048 1.096 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.077 3.675 1.196 1.00 0.00 H new ATOM 739 N ILE A 53 -6.339 4.913 -1.506 1.00 0.00 N ATOM 740 CA ILE A 53 -5.751 5.177 -2.808 1.00 0.00 C ATOM 741 C ILE A 53 -4.228 5.221 -2.675 1.00 0.00 C ATOM 742 O ILE A 53 -3.681 6.132 -2.056 1.00 0.00 O ATOM 743 CB ILE A 53 -6.352 6.444 -3.419 1.00 0.00 C ATOM 744 CG1 ILE A 53 -7.826 6.237 -3.771 1.00 0.00 C ATOM 745 CG2 ILE A 53 -5.535 6.911 -4.626 1.00 0.00 C ATOM 746 CD1 ILE A 53 -8.517 7.575 -4.047 1.00 0.00 C ATOM 0 H ILE A 53 -6.686 5.739 -1.019 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.987 4.372 -3.504 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.307 7.237 -2.673 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -7.908 5.594 -4.647 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -8.331 5.725 -2.952 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.983 7.813 -5.042 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.513 7.125 -4.313 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.526 6.128 -5.384 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -9.564 7.400 -4.295 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -8.455 8.206 -3.161 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -8.025 8.073 -4.882 1.00 0.00 H new ATOM 758 N ILE A 54 -3.585 4.224 -3.266 1.00 0.00 N ATOM 759 CA ILE A 54 -2.136 4.137 -3.222 1.00 0.00 C ATOM 760 C ILE A 54 -1.536 5.234 -4.104 1.00 0.00 C ATOM 761 O ILE A 54 -1.630 5.171 -5.329 1.00 0.00 O ATOM 762 CB ILE A 54 -1.672 2.727 -3.593 1.00 0.00 C ATOM 763 CG1 ILE A 54 -1.894 1.754 -2.433 1.00 0.00 C ATOM 764 CG2 ILE A 54 -0.216 2.735 -4.064 1.00 0.00 C ATOM 765 CD1 ILE A 54 -2.183 0.343 -2.950 1.00 0.00 C ATOM 0 H ILE A 54 -4.042 3.469 -3.778 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.775 4.310 -2.208 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.278 2.376 -4.428 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.012 1.737 -1.793 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.726 2.098 -1.819 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.089 1.721 -4.321 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.121 3.376 -4.940 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.422 3.114 -3.266 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.337 -0.329 -2.106 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.080 0.359 -3.569 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.338 -0.007 -3.543 1.00 0.00 H new ATOM 777 N VAL A 55 -0.933 6.214 -3.447 1.00 0.00 N ATOM 778 CA VAL A 55 -0.318 7.323 -4.156 1.00 0.00 C ATOM 779 C VAL A 55 1.019 6.867 -4.745 1.00 0.00 C ATOM 780 O VAL A 55 1.288 7.087 -5.925 1.00 0.00 O ATOM 781 CB VAL A 55 -0.181 8.528 -3.224 1.00 0.00 C ATOM 782 CG1 VAL A 55 -0.242 9.839 -4.011 1.00 0.00 C ATOM 783 CG2 VAL A 55 -1.247 8.497 -2.127 1.00 0.00 C ATOM 0 H VAL A 55 -0.857 6.263 -2.431 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.947 7.642 -4.987 1.00 0.00 H new ATOM 0 HB VAL A 55 0.796 8.471 -2.743 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.142 10.680 -3.325 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.570 9.865 -4.738 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.197 9.907 -4.532 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.127 9.365 -1.478 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.238 8.518 -2.581 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.137 7.586 -1.538 1.00 0.00 H new ATOM 793 N ALA A 56 1.821 6.241 -3.896 1.00 0.00 N ATOM 794 CA ALA A 56 3.123 5.753 -4.318 1.00 0.00 C ATOM 795 C ALA A 56 3.355 4.360 -3.730 1.00 0.00 C ATOM 796 O ALA A 56 2.559 3.882 -2.923 1.00 0.00 O ATOM 797 CB ALA A 56 4.203 6.752 -3.897 1.00 0.00 C ATOM 0 H ALA A 56 1.594 6.061 -2.918 1.00 0.00 H new ATOM 0 HA ALA A 56 3.167 5.664 -5.403 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.180 6.386 -4.213 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.008 7.717 -4.364 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.191 6.865 -2.813 1.00 0.00 H new ATOM 803 N ILE A 57 4.450 3.748 -4.157 1.00 0.00 N ATOM 804 CA ILE A 57 4.797 2.419 -3.683 1.00 0.00 C ATOM 805 C ILE A 57 6.258 2.411 -3.226 1.00 0.00 C ATOM 806 O ILE A 57 7.169 2.343 -4.050 1.00 0.00 O ATOM 807 CB ILE A 57 4.481 1.369 -4.750 1.00 0.00 C ATOM 808 CG1 ILE A 57 2.971 1.243 -4.963 1.00 0.00 C ATOM 809 CG2 ILE A 57 5.125 0.025 -4.405 1.00 0.00 C ATOM 810 CD1 ILE A 57 2.655 0.206 -6.043 1.00 0.00 C ATOM 0 H ILE A 57 5.108 4.148 -4.826 1.00 0.00 H new ATOM 0 HA ILE A 57 4.190 2.153 -2.818 1.00 0.00 H new ATOM 0 HB ILE A 57 4.914 1.700 -5.694 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.491 0.957 -4.027 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.559 2.210 -5.250 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.885 -0.703 -5.180 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.207 0.145 -4.343 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.743 -0.326 -3.446 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.575 0.136 -6.175 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.117 0.508 -6.983 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.048 -0.765 -5.741 1.00 0.00 H new ATOM 822 N ASN A 58 6.435 2.481 -1.915 1.00 0.00 N ATOM 823 CA ASN A 58 7.769 2.482 -1.339 1.00 0.00 C ATOM 824 C ASN A 58 8.433 3.835 -1.604 1.00 0.00 C ATOM 825 O ASN A 58 9.619 4.012 -1.333 1.00 0.00 O ATOM 826 CB ASN A 58 8.642 1.396 -1.970 1.00 0.00 C ATOM 827 CG ASN A 58 9.202 0.453 -0.903 1.00 0.00 C ATOM 828 OD1 ASN A 58 9.253 0.768 0.275 1.00 0.00 O ATOM 829 ND2 ASN A 58 9.618 -0.717 -1.378 1.00 0.00 N ATOM 0 H ASN A 58 5.677 2.537 -1.235 1.00 0.00 H new ATOM 0 HA ASN A 58 7.675 2.293 -0.270 1.00 0.00 H new ATOM 0 HB2 ASN A 58 8.056 0.827 -2.692 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.463 1.858 -2.519 1.00 0.00 H new ATOM 0 HD21 ASN A 58 10.008 -1.415 -0.745 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.547 -0.917 -2.376 1.00 0.00 H new ATOM 836 N GLY A 59 7.638 4.755 -2.131 1.00 0.00 N ATOM 837 CA GLY A 59 8.133 6.087 -2.435 1.00 0.00 C ATOM 838 C GLY A 59 8.024 6.383 -3.932 1.00 0.00 C ATOM 839 O GLY A 59 8.202 7.524 -4.357 1.00 0.00 O ATOM 0 H GLY A 59 6.654 4.604 -2.355 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.565 6.827 -1.872 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.172 6.174 -2.118 1.00 0.00 H new ATOM 843 N GLN A 60 7.731 5.337 -4.690 1.00 0.00 N ATOM 844 CA GLN A 60 7.596 5.471 -6.131 1.00 0.00 C ATOM 845 C GLN A 60 6.135 5.731 -6.505 1.00 0.00 C ATOM 846 O GLN A 60 5.266 4.903 -6.237 1.00 0.00 O ATOM 847 CB GLN A 60 8.134 4.233 -6.850 1.00 0.00 C ATOM 848 CG GLN A 60 7.758 4.253 -8.333 1.00 0.00 C ATOM 849 CD GLN A 60 9.007 4.248 -9.216 1.00 0.00 C ATOM 850 OE1 GLN A 60 9.685 3.246 -9.372 1.00 0.00 O ATOM 851 NE2 GLN A 60 9.273 5.422 -9.783 1.00 0.00 N ATOM 0 H GLN A 60 7.583 4.393 -4.334 1.00 0.00 H new ATOM 0 HA GLN A 60 8.191 6.325 -6.454 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.218 4.191 -6.747 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.734 3.334 -6.382 1.00 0.00 H new ATOM 0 HG2 GLN A 60 7.140 3.386 -8.567 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.160 5.138 -8.548 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.664 6.222 -9.610 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.086 5.522 -10.390 1.00 0.00 H new ATOM 860 N SER A 61 5.910 6.884 -7.118 1.00 0.00 N ATOM 861 CA SER A 61 4.570 7.263 -7.531 1.00 0.00 C ATOM 862 C SER A 61 3.828 6.043 -8.081 1.00 0.00 C ATOM 863 O SER A 61 4.431 5.177 -8.712 1.00 0.00 O ATOM 864 CB SER A 61 4.611 8.377 -8.579 1.00 0.00 C ATOM 865 OG SER A 61 4.474 9.668 -7.992 1.00 0.00 O ATOM 0 H SER A 61 6.634 7.568 -7.339 1.00 0.00 H new ATOM 0 HA SER A 61 4.037 7.642 -6.659 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.552 8.326 -9.126 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.812 8.222 -9.304 1.00 0.00 H new ATOM 0 HG SER A 61 4.507 10.351 -8.694 1.00 0.00 H new ATOM 871 N ALA A 62 2.529 6.015 -7.822 1.00 0.00 N ATOM 872 CA ALA A 62 1.698 4.916 -8.283 1.00 0.00 C ATOM 873 C ALA A 62 0.591 5.463 -9.186 1.00 0.00 C ATOM 874 O ALA A 62 -0.282 4.717 -9.627 1.00 0.00 O ATOM 875 CB ALA A 62 1.143 4.154 -7.078 1.00 0.00 C ATOM 0 H ALA A 62 2.032 6.736 -7.299 1.00 0.00 H new ATOM 0 HA ALA A 62 2.286 4.212 -8.871 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.520 3.330 -7.424 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.968 3.760 -6.485 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.545 4.828 -6.465 1.00 0.00 H new ATOM 881 N GLU A 63 0.662 6.763 -9.435 1.00 0.00 N ATOM 882 CA GLU A 63 -0.323 7.419 -10.277 1.00 0.00 C ATOM 883 C GLU A 63 -0.348 6.775 -11.665 1.00 0.00 C ATOM 884 O GLU A 63 -1.401 6.688 -12.294 1.00 0.00 O ATOM 885 CB GLU A 63 -0.048 8.921 -10.375 1.00 0.00 C ATOM 886 CG GLU A 63 -1.134 9.724 -9.656 1.00 0.00 C ATOM 887 CD GLU A 63 -2.052 10.425 -10.659 1.00 0.00 C ATOM 888 OE1 GLU A 63 -3.046 9.783 -11.063 1.00 0.00 O ATOM 889 OE2 GLU A 63 -1.739 11.586 -11.000 1.00 0.00 O ATOM 0 H GLU A 63 1.387 7.379 -9.068 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.305 7.292 -9.821 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.925 9.146 -9.938 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.004 9.219 -11.423 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.722 9.061 -9.022 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.672 10.464 -9.002 1.00 0.00 H new ATOM 896 N ASN A 64 0.825 6.341 -12.102 1.00 0.00 N ATOM 897 CA ASN A 64 0.952 5.708 -13.404 1.00 0.00 C ATOM 898 C ASN A 64 1.537 4.305 -13.229 1.00 0.00 C ATOM 899 O ASN A 64 2.585 3.991 -13.792 1.00 0.00 O ATOM 900 CB ASN A 64 1.891 6.502 -14.314 1.00 0.00 C ATOM 901 CG ASN A 64 1.141 7.632 -15.022 1.00 0.00 C ATOM 902 OD1 ASN A 64 0.146 8.148 -14.542 1.00 0.00 O ATOM 903 ND2 ASN A 64 1.674 7.987 -16.188 1.00 0.00 N ATOM 0 H ASN A 64 1.697 6.415 -11.577 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.039 5.667 -13.857 1.00 0.00 H new ATOM 0 HB2 ASN A 64 2.709 6.917 -13.725 1.00 0.00 H new ATOM 0 HB3 ASN A 64 2.336 5.836 -15.054 1.00 0.00 H new ATOM 0 HD21 ASN A 64 1.248 8.733 -16.738 1.00 0.00 H new ATOM 0 HD22 ASN A 64 2.509 7.513 -16.532 1.00 0.00 H new ATOM 910 N MET A 65 0.835 3.498 -12.447 1.00 0.00 N ATOM 911 CA MET A 65 1.272 2.136 -12.191 1.00 0.00 C ATOM 912 C MET A 65 0.231 1.126 -12.677 1.00 0.00 C ATOM 913 O MET A 65 -0.920 1.158 -12.244 1.00 0.00 O ATOM 914 CB MET A 65 1.505 1.948 -10.691 1.00 0.00 C ATOM 915 CG MET A 65 2.959 2.245 -10.320 1.00 0.00 C ATOM 916 SD MET A 65 3.257 1.805 -8.616 1.00 0.00 S ATOM 917 CE MET A 65 4.974 2.270 -8.471 1.00 0.00 C ATOM 0 H MET A 65 -0.034 3.761 -11.982 1.00 0.00 H new ATOM 0 HA MET A 65 2.200 1.963 -12.736 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.841 2.607 -10.131 1.00 0.00 H new ATOM 0 HB3 MET A 65 1.255 0.926 -10.406 1.00 0.00 H new ATOM 0 HG2 MET A 65 3.631 1.686 -10.971 1.00 0.00 H new ATOM 0 HG3 MET A 65 3.173 3.303 -10.474 1.00 0.00 H new ATOM 0 HE1 MET A 65 5.569 1.391 -8.222 1.00 0.00 H new ATOM 0 HE2 MET A 65 5.320 2.686 -9.417 1.00 0.00 H new ATOM 0 HE3 MET A 65 5.083 3.017 -7.685 1.00 0.00 H new ATOM 927 N LEU A 66 0.672 0.253 -13.571 1.00 0.00 N ATOM 928 CA LEU A 66 -0.207 -0.764 -14.121 1.00 0.00 C ATOM 929 C LEU A 66 -0.571 -1.765 -13.023 1.00 0.00 C ATOM 930 O LEU A 66 0.207 -1.984 -12.095 1.00 0.00 O ATOM 931 CB LEU A 66 0.426 -1.409 -15.356 1.00 0.00 C ATOM 932 CG LEU A 66 1.026 -0.446 -16.382 1.00 0.00 C ATOM 933 CD1 LEU A 66 2.341 -0.993 -16.943 1.00 0.00 C ATOM 934 CD2 LEU A 66 0.020 -0.127 -17.489 1.00 0.00 C ATOM 0 H LEU A 66 1.627 0.229 -13.928 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.139 -0.316 -14.466 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.210 -2.090 -15.024 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.332 -2.014 -15.854 1.00 0.00 H new ATOM 0 HG LEU A 66 1.256 0.492 -15.876 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.747 -0.290 -17.670 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.055 -1.128 -16.131 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.159 -1.952 -17.428 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.472 0.559 -18.205 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.264 -1.048 -17.999 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.866 0.335 -17.053 1.00 0.00 H new ATOM 946 N HIS A 67 -1.753 -2.347 -13.164 1.00 0.00 N ATOM 947 CA HIS A 67 -2.229 -3.319 -12.195 1.00 0.00 C ATOM 948 C HIS A 67 -1.174 -4.410 -12.002 1.00 0.00 C ATOM 949 O HIS A 67 -1.162 -5.093 -10.979 1.00 0.00 O ATOM 950 CB HIS A 67 -3.591 -3.879 -12.611 1.00 0.00 C ATOM 951 CG HIS A 67 -4.266 -4.708 -11.545 1.00 0.00 C ATOM 952 ND1 HIS A 67 -5.223 -4.192 -10.689 1.00 0.00 N ATOM 953 CD2 HIS A 67 -4.114 -6.021 -11.207 1.00 0.00 C ATOM 954 CE1 HIS A 67 -5.621 -5.159 -9.875 1.00 0.00 C ATOM 955 NE2 HIS A 67 -4.932 -6.291 -10.197 1.00 0.00 N ATOM 0 H HIS A 67 -2.395 -2.164 -13.935 1.00 0.00 H new ATOM 0 HA HIS A 67 -2.380 -2.833 -11.231 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.246 -3.051 -12.881 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.464 -4.489 -13.505 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -5.564 -3.231 -10.685 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -3.442 -6.722 -11.681 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -6.361 -5.067 -9.094 1.00 0.00 H new ATOM 963 N ALA A 68 -0.313 -4.540 -13.001 1.00 0.00 N ATOM 964 CA ALA A 68 0.744 -5.536 -12.953 1.00 0.00 C ATOM 965 C ALA A 68 2.008 -4.904 -12.367 1.00 0.00 C ATOM 966 O ALA A 68 2.846 -5.600 -11.795 1.00 0.00 O ATOM 967 CB ALA A 68 0.973 -6.104 -14.355 1.00 0.00 C ATOM 0 H ALA A 68 -0.326 -3.972 -13.848 1.00 0.00 H new ATOM 0 HA ALA A 68 0.460 -6.366 -12.306 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.766 -6.851 -14.320 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.054 -6.567 -14.715 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.263 -5.299 -15.031 1.00 0.00 H new ATOM 973 N GLU A 69 2.106 -3.593 -12.528 1.00 0.00 N ATOM 974 CA GLU A 69 3.253 -2.860 -12.022 1.00 0.00 C ATOM 975 C GLU A 69 3.229 -2.826 -10.492 1.00 0.00 C ATOM 976 O GLU A 69 4.174 -3.270 -9.843 1.00 0.00 O ATOM 977 CB GLU A 69 3.299 -1.445 -12.601 1.00 0.00 C ATOM 978 CG GLU A 69 3.744 -1.465 -14.065 1.00 0.00 C ATOM 979 CD GLU A 69 5.183 -0.967 -14.207 1.00 0.00 C ATOM 980 OE1 GLU A 69 6.090 -1.823 -14.132 1.00 0.00 O ATOM 981 OE2 GLU A 69 5.344 0.260 -14.388 1.00 0.00 O ATOM 0 H GLU A 69 1.409 -3.019 -13.002 1.00 0.00 H new ATOM 0 HA GLU A 69 4.158 -3.377 -12.340 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.314 -0.984 -12.523 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.985 -0.832 -12.017 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.666 -2.478 -14.459 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.078 -0.839 -14.660 1.00 0.00 H new ATOM 988 N ALA A 70 2.137 -2.296 -9.961 1.00 0.00 N ATOM 989 CA ALA A 70 1.976 -2.198 -8.521 1.00 0.00 C ATOM 990 C ALA A 70 2.057 -3.598 -7.907 1.00 0.00 C ATOM 991 O ALA A 70 2.659 -3.782 -6.850 1.00 0.00 O ATOM 992 CB ALA A 70 0.655 -1.497 -8.200 1.00 0.00 C ATOM 0 H ALA A 70 1.355 -1.930 -10.503 1.00 0.00 H new ATOM 0 HA ALA A 70 2.776 -1.599 -8.086 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.535 -1.424 -7.119 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.659 -0.497 -8.633 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.172 -2.070 -8.619 1.00 0.00 H new ATOM 998 N GLN A 71 1.442 -4.547 -8.596 1.00 0.00 N ATOM 999 CA GLN A 71 1.436 -5.924 -8.132 1.00 0.00 C ATOM 1000 C GLN A 71 2.868 -6.455 -8.028 1.00 0.00 C ATOM 1001 O GLN A 71 3.239 -7.057 -7.021 1.00 0.00 O ATOM 1002 CB GLN A 71 0.589 -6.809 -9.049 1.00 0.00 C ATOM 1003 CG GLN A 71 -0.869 -6.839 -8.588 1.00 0.00 C ATOM 1004 CD GLN A 71 -0.986 -7.416 -7.175 1.00 0.00 C ATOM 1005 OE1 GLN A 71 -0.018 -7.848 -6.572 1.00 0.00 O ATOM 1006 NE2 GLN A 71 -2.222 -7.399 -6.684 1.00 0.00 N ATOM 0 H GLN A 71 0.944 -4.390 -9.472 1.00 0.00 H new ATOM 0 HA GLN A 71 0.986 -5.950 -7.140 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.643 -6.436 -10.072 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.992 -7.822 -9.057 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.281 -5.830 -8.608 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.461 -7.439 -9.280 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.988 -7.023 -7.243 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.404 -7.762 -5.749 1.00 0.00 H new ATOM 1015 N SER A 72 3.633 -6.213 -9.082 1.00 0.00 N ATOM 1016 CA SER A 72 5.015 -6.659 -9.122 1.00 0.00 C ATOM 1017 C SER A 72 5.836 -5.912 -8.069 1.00 0.00 C ATOM 1018 O SER A 72 6.403 -6.527 -7.167 1.00 0.00 O ATOM 1019 CB SER A 72 5.620 -6.452 -10.512 1.00 0.00 C ATOM 1020 OG SER A 72 6.900 -7.067 -10.633 1.00 0.00 O ATOM 0 H SER A 72 3.322 -5.714 -9.915 1.00 0.00 H new ATOM 0 HA SER A 72 5.037 -7.726 -8.901 1.00 0.00 H new ATOM 0 HB2 SER A 72 4.948 -6.863 -11.265 1.00 0.00 H new ATOM 0 HB3 SER A 72 5.710 -5.385 -10.713 1.00 0.00 H new ATOM 0 HG SER A 72 7.252 -6.914 -11.535 1.00 0.00 H new ATOM 1026 N LYS A 73 5.874 -4.596 -8.218 1.00 0.00 N ATOM 1027 CA LYS A 73 6.617 -3.759 -7.292 1.00 0.00 C ATOM 1028 C LYS A 73 6.371 -4.245 -5.862 1.00 0.00 C ATOM 1029 O LYS A 73 7.312 -4.593 -5.150 1.00 0.00 O ATOM 1030 CB LYS A 73 6.271 -2.284 -7.507 1.00 0.00 C ATOM 1031 CG LYS A 73 7.301 -1.606 -8.413 1.00 0.00 C ATOM 1032 CD LYS A 73 6.638 -1.039 -9.669 1.00 0.00 C ATOM 1033 CE LYS A 73 7.308 0.267 -10.102 1.00 0.00 C ATOM 1034 NZ LYS A 73 8.455 -0.011 -10.995 1.00 0.00 N ATOM 0 H LYS A 73 5.402 -4.089 -8.967 1.00 0.00 H new ATOM 0 HA LYS A 73 7.688 -3.843 -7.479 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.279 -2.200 -7.952 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.234 -1.772 -6.546 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.799 -0.805 -7.867 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.070 -2.325 -8.696 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.699 -1.768 -10.477 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.580 -0.863 -9.478 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.585 0.901 -10.615 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.648 0.817 -9.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.899 0.886 -11.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.152 -0.598 -10.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.122 -0.516 -11.841 1.00 0.00 H new ATOM 1048 N ILE A 74 5.101 -4.255 -5.484 1.00 0.00 N ATOM 1049 CA ILE A 74 4.720 -4.693 -4.153 1.00 0.00 C ATOM 1050 C ILE A 74 5.340 -6.064 -3.874 1.00 0.00 C ATOM 1051 O ILE A 74 5.962 -6.267 -2.833 1.00 0.00 O ATOM 1052 CB ILE A 74 3.198 -4.664 -3.994 1.00 0.00 C ATOM 1053 CG1 ILE A 74 2.709 -3.253 -3.658 1.00 0.00 C ATOM 1054 CG2 ILE A 74 2.734 -5.692 -2.960 1.00 0.00 C ATOM 1055 CD1 ILE A 74 1.286 -3.029 -4.173 1.00 0.00 C ATOM 0 H ILE A 74 4.323 -3.967 -6.077 1.00 0.00 H new ATOM 0 HA ILE A 74 5.110 -4.007 -3.401 1.00 0.00 H new ATOM 0 HB ILE A 74 2.750 -4.942 -4.948 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.737 -3.102 -2.579 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.380 -2.517 -4.101 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.649 -5.650 -2.867 1.00 0.00 H new ATOM 0 HG22 ILE A 74 3.032 -6.690 -3.280 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.190 -5.469 -1.995 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.963 -2.019 -3.921 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.266 -3.157 -5.255 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.614 -3.751 -3.710 1.00 0.00 H new ATOM 1067 N ARG A 75 5.150 -6.968 -4.824 1.00 0.00 N ATOM 1068 CA ARG A 75 5.683 -8.313 -4.694 1.00 0.00 C ATOM 1069 C ARG A 75 7.212 -8.277 -4.654 1.00 0.00 C ATOM 1070 O ARG A 75 7.846 -9.202 -4.149 1.00 0.00 O ATOM 1071 CB ARG A 75 5.231 -9.200 -5.856 1.00 0.00 C ATOM 1072 CG ARG A 75 5.703 -10.642 -5.661 1.00 0.00 C ATOM 1073 CD ARG A 75 5.167 -11.549 -6.771 1.00 0.00 C ATOM 1074 NE ARG A 75 5.694 -12.921 -6.602 1.00 0.00 N ATOM 1075 CZ ARG A 75 5.410 -13.942 -7.423 1.00 0.00 C ATOM 1076 NH1 ARG A 75 4.603 -13.750 -8.476 1.00 0.00 N ATOM 1077 NH2 ARG A 75 5.934 -15.153 -7.192 1.00 0.00 N ATOM 0 H ARG A 75 4.634 -6.795 -5.687 1.00 0.00 H new ATOM 0 HA ARG A 75 5.301 -8.732 -3.763 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.144 -9.177 -5.934 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.627 -8.808 -6.793 1.00 0.00 H new ATOM 0 HG2 ARG A 75 6.793 -10.674 -5.655 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.367 -11.010 -4.692 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.077 -11.563 -6.746 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.458 -11.156 -7.745 1.00 0.00 H new ATOM 0 HE ARG A 75 6.312 -13.101 -5.811 1.00 0.00 H new ATOM 0 HH11 ARG A 75 4.205 -12.827 -8.652 1.00 0.00 H new ATOM 0 HH12 ARG A 75 4.387 -14.527 -9.101 1.00 0.00 H new ATOM 0 HH21 ARG A 75 6.549 -15.298 -6.391 1.00 0.00 H new ATOM 0 HH22 ARG A 75 5.718 -15.930 -7.817 1.00 0.00 H new ATOM 1091 N GLN A 76 7.760 -7.198 -5.194 1.00 0.00 N ATOM 1092 CA GLN A 76 9.203 -7.029 -5.227 1.00 0.00 C ATOM 1093 C GLN A 76 9.648 -6.051 -4.137 1.00 0.00 C ATOM 1094 O GLN A 76 10.799 -5.617 -4.119 1.00 0.00 O ATOM 1095 CB GLN A 76 9.669 -6.560 -6.607 1.00 0.00 C ATOM 1096 CG GLN A 76 9.457 -7.652 -7.657 1.00 0.00 C ATOM 1097 CD GLN A 76 10.695 -7.809 -8.542 1.00 0.00 C ATOM 1098 OE1 GLN A 76 11.788 -8.095 -8.081 1.00 0.00 O ATOM 1099 NE2 GLN A 76 10.464 -7.607 -9.836 1.00 0.00 N ATOM 0 H GLN A 76 7.231 -6.433 -5.612 1.00 0.00 H new ATOM 0 HA GLN A 76 9.667 -7.996 -5.032 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.121 -5.663 -6.894 1.00 0.00 H new ATOM 0 HB3 GLN A 76 10.724 -6.290 -6.566 1.00 0.00 H new ATOM 0 HG2 GLN A 76 9.236 -8.598 -7.163 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.593 -7.405 -8.274 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.525 -7.370 -10.156 1.00 0.00 H new ATOM 0 HE22 GLN A 76 11.226 -7.689 -10.509 1.00 0.00 H new ATOM 1108 N SER A 77 8.712 -5.733 -3.254 1.00 0.00 N ATOM 1109 CA SER A 77 8.993 -4.815 -2.164 1.00 0.00 C ATOM 1110 C SER A 77 9.408 -5.596 -0.916 1.00 0.00 C ATOM 1111 O SER A 77 8.778 -6.592 -0.564 1.00 0.00 O ATOM 1112 CB SER A 77 7.780 -3.934 -1.859 1.00 0.00 C ATOM 1113 OG SER A 77 8.144 -2.747 -1.159 1.00 0.00 O ATOM 0 H SER A 77 7.759 -6.095 -3.272 1.00 0.00 H new ATOM 0 HA SER A 77 9.813 -4.165 -2.468 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.283 -3.667 -2.791 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.062 -4.499 -1.265 1.00 0.00 H new ATOM 0 HG SER A 77 8.172 -2.930 -0.197 1.00 0.00 H new ATOM 1119 N ALA A 78 10.466 -5.115 -0.280 1.00 0.00 N ATOM 1120 CA ALA A 78 10.973 -5.756 0.921 1.00 0.00 C ATOM 1121 C ALA A 78 10.173 -5.268 2.131 1.00 0.00 C ATOM 1122 O ALA A 78 9.055 -4.777 1.983 1.00 0.00 O ATOM 1123 CB ALA A 78 12.470 -5.472 1.059 1.00 0.00 C ATOM 0 H ALA A 78 10.986 -4.288 -0.574 1.00 0.00 H new ATOM 0 HA ALA A 78 10.851 -6.837 0.859 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.850 -5.953 1.960 1.00 0.00 H new ATOM 0 HB2 ALA A 78 12.996 -5.864 0.189 1.00 0.00 H new ATOM 0 HB3 ALA A 78 12.632 -4.396 1.126 1.00 0.00 H new ATOM 1129 N SER A 79 10.777 -5.421 3.300 1.00 0.00 N ATOM 1130 CA SER A 79 10.135 -5.001 4.534 1.00 0.00 C ATOM 1131 C SER A 79 11.088 -4.126 5.349 1.00 0.00 C ATOM 1132 O SER A 79 12.285 -4.403 5.420 1.00 0.00 O ATOM 1133 CB SER A 79 9.687 -6.209 5.360 1.00 0.00 C ATOM 1134 OG SER A 79 10.711 -7.194 5.464 1.00 0.00 O ATOM 0 H SER A 79 11.704 -5.830 3.419 1.00 0.00 H new ATOM 0 HA SER A 79 9.249 -4.420 4.278 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.399 -5.879 6.358 1.00 0.00 H new ATOM 0 HB3 SER A 79 8.802 -6.653 4.903 1.00 0.00 H new ATOM 0 HG SER A 79 10.387 -7.948 6.000 1.00 0.00 H new ATOM 1140 N PRO A 80 10.508 -3.058 5.960 1.00 0.00 N ATOM 1141 CA PRO A 80 9.084 -2.801 5.825 1.00 0.00 C ATOM 1142 C PRO A 80 8.759 -2.231 4.443 1.00 0.00 C ATOM 1143 O PRO A 80 9.642 -1.729 3.751 1.00 0.00 O ATOM 1144 CB PRO A 80 8.748 -1.844 6.957 1.00 0.00 C ATOM 1145 CG PRO A 80 10.071 -1.237 7.396 1.00 0.00 C ATOM 1146 CD PRO A 80 11.190 -2.071 6.792 1.00 0.00 C ATOM 0 HA PRO A 80 8.484 -3.708 5.897 1.00 0.00 H new ATOM 0 HB2 PRO A 80 8.056 -1.071 6.623 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.266 -2.369 7.782 1.00 0.00 H new ATOM 0 HG2 PRO A 80 10.145 -0.201 7.064 1.00 0.00 H new ATOM 0 HG3 PRO A 80 10.145 -1.229 8.483 1.00 0.00 H new ATOM 0 HD2 PRO A 80 11.868 -1.455 6.201 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.788 -2.551 7.566 1.00 0.00 H new ATOM 1154 N LEU A 81 7.487 -2.329 4.083 1.00 0.00 N ATOM 1155 CA LEU A 81 7.034 -1.829 2.796 1.00 0.00 C ATOM 1156 C LEU A 81 6.264 -0.523 3.003 1.00 0.00 C ATOM 1157 O LEU A 81 5.217 -0.511 3.648 1.00 0.00 O ATOM 1158 CB LEU A 81 6.234 -2.903 2.056 1.00 0.00 C ATOM 1159 CG LEU A 81 5.154 -2.395 1.099 1.00 0.00 C ATOM 1160 CD1 LEU A 81 5.773 -1.876 -0.201 1.00 0.00 C ATOM 1161 CD2 LEU A 81 4.099 -3.473 0.841 1.00 0.00 C ATOM 0 H LEU A 81 6.757 -2.747 4.660 1.00 0.00 H new ATOM 0 HA LEU A 81 7.886 -1.600 2.155 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.931 -3.522 1.490 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.761 -3.550 2.795 1.00 0.00 H new ATOM 0 HG LEU A 81 4.647 -1.554 1.572 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.984 -1.521 -0.863 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.455 -1.056 0.023 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.322 -2.681 -0.690 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.343 -3.086 0.158 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.574 -4.349 0.398 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.627 -3.753 1.783 1.00 0.00 H new ATOM 1173 N ARG A 82 6.813 0.545 2.444 1.00 0.00 N ATOM 1174 CA ARG A 82 6.192 1.853 2.559 1.00 0.00 C ATOM 1175 C ARG A 82 5.156 2.048 1.450 1.00 0.00 C ATOM 1176 O ARG A 82 5.449 1.827 0.276 1.00 0.00 O ATOM 1177 CB ARG A 82 7.235 2.969 2.474 1.00 0.00 C ATOM 1178 CG ARG A 82 7.282 3.776 3.773 1.00 0.00 C ATOM 1179 CD ARG A 82 8.386 4.835 3.721 1.00 0.00 C ATOM 1180 NE ARG A 82 9.683 4.233 4.103 1.00 0.00 N ATOM 1181 CZ ARG A 82 10.527 3.656 3.237 1.00 0.00 C ATOM 1182 NH1 ARG A 82 10.215 3.598 1.935 1.00 0.00 N ATOM 1183 NH2 ARG A 82 11.682 3.136 3.673 1.00 0.00 N ATOM 0 H ARG A 82 7.682 0.531 1.910 1.00 0.00 H new ATOM 0 HA ARG A 82 5.703 1.902 3.532 1.00 0.00 H new ATOM 0 HB2 ARG A 82 8.216 2.540 2.273 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.999 3.630 1.640 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.319 4.258 3.941 1.00 0.00 H new ATOM 0 HG3 ARG A 82 7.455 3.106 4.615 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.452 5.254 2.717 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.145 5.657 4.395 1.00 0.00 H new ATOM 0 HE ARG A 82 9.951 4.259 5.087 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.335 3.993 1.603 1.00 0.00 H new ATOM 0 HH12 ARG A 82 10.857 3.159 1.276 1.00 0.00 H new ATOM 0 HH21 ARG A 82 11.919 3.179 4.664 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.325 2.697 3.014 1.00 0.00 H new ATOM 1197 N LEU A 83 3.966 2.461 1.862 1.00 0.00 N ATOM 1198 CA LEU A 83 2.885 2.688 0.918 1.00 0.00 C ATOM 1199 C LEU A 83 2.195 4.013 1.248 1.00 0.00 C ATOM 1200 O LEU A 83 1.717 4.206 2.365 1.00 0.00 O ATOM 1201 CB LEU A 83 1.935 1.489 0.892 1.00 0.00 C ATOM 1202 CG LEU A 83 2.477 0.217 0.237 1.00 0.00 C ATOM 1203 CD1 LEU A 83 1.570 -0.980 0.531 1.00 0.00 C ATOM 1204 CD2 LEU A 83 2.688 0.421 -1.264 1.00 0.00 C ATOM 0 H LEU A 83 3.727 2.644 2.837 1.00 0.00 H new ATOM 0 HA LEU A 83 3.277 2.776 -0.095 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.652 1.253 1.918 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.025 1.783 0.369 1.00 0.00 H new ATOM 0 HG LEU A 83 3.452 -0.003 0.672 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.978 -1.871 0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.514 -1.138 1.608 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.571 -0.784 0.141 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.074 -0.498 -1.705 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.738 0.678 -1.733 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.403 1.228 -1.425 1.00 0.00 H new ATOM 1216 N GLN A 84 2.165 4.891 0.257 1.00 0.00 N ATOM 1217 CA GLN A 84 1.541 6.192 0.429 1.00 0.00 C ATOM 1218 C GLN A 84 0.067 6.132 0.023 1.00 0.00 C ATOM 1219 O GLN A 84 -0.255 5.771 -1.108 1.00 0.00 O ATOM 1220 CB GLN A 84 2.285 7.266 -0.367 1.00 0.00 C ATOM 1221 CG GLN A 84 2.185 8.628 0.323 1.00 0.00 C ATOM 1222 CD GLN A 84 2.677 9.747 -0.598 1.00 0.00 C ATOM 1223 OE1 GLN A 84 3.526 9.554 -1.452 1.00 0.00 O ATOM 1224 NE2 GLN A 84 2.098 10.924 -0.377 1.00 0.00 N ATOM 0 H GLN A 84 2.563 4.727 -0.668 1.00 0.00 H new ATOM 0 HA GLN A 84 1.597 6.463 1.483 1.00 0.00 H new ATOM 0 HB2 GLN A 84 3.333 6.984 -0.474 1.00 0.00 H new ATOM 0 HB3 GLN A 84 1.869 7.332 -1.372 1.00 0.00 H new ATOM 0 HG2 GLN A 84 1.151 8.818 0.612 1.00 0.00 H new ATOM 0 HG3 GLN A 84 2.776 8.620 1.239 1.00 0.00 H new ATOM 0 HE21 GLN A 84 1.394 11.016 0.355 1.00 0.00 H new ATOM 0 HE22 GLN A 84 2.358 11.734 -0.939 1.00 0.00 H new ATOM 1233 N LEU A 85 -0.789 6.491 0.969 1.00 0.00 N ATOM 1234 CA LEU A 85 -2.221 6.482 0.725 1.00 0.00 C ATOM 1235 C LEU A 85 -2.736 7.922 0.683 1.00 0.00 C ATOM 1236 O LEU A 85 -2.307 8.762 1.473 1.00 0.00 O ATOM 1237 CB LEU A 85 -2.935 5.603 1.754 1.00 0.00 C ATOM 1238 CG LEU A 85 -2.272 4.260 2.064 1.00 0.00 C ATOM 1239 CD1 LEU A 85 -3.037 3.511 3.157 1.00 0.00 C ATOM 1240 CD2 LEU A 85 -2.117 3.419 0.795 1.00 0.00 C ATOM 0 H LEU A 85 -0.518 6.790 1.906 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.439 6.037 -0.246 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.023 6.165 2.684 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.948 5.412 1.399 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.270 4.454 2.446 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.545 2.559 3.359 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.053 4.111 4.067 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.059 3.328 2.825 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.643 2.469 1.043 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.099 3.232 0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.498 3.956 0.076 1.00 0.00 H new ATOM 1252 N ASP A 86 -3.649 8.164 -0.247 1.00 0.00 N ATOM 1253 CA ASP A 86 -4.227 9.488 -0.402 1.00 0.00 C ATOM 1254 C ASP A 86 -5.579 9.536 0.312 1.00 0.00 C ATOM 1255 O ASP A 86 -6.581 9.056 -0.215 1.00 0.00 O ATOM 1256 CB ASP A 86 -4.459 9.818 -1.878 1.00 0.00 C ATOM 1257 CG ASP A 86 -3.963 11.196 -2.319 1.00 0.00 C ATOM 1258 OD1 ASP A 86 -2.919 11.622 -1.779 1.00 0.00 O ATOM 1259 OD2 ASP A 86 -4.638 11.792 -3.185 1.00 0.00 O ATOM 0 H ASP A 86 -4.002 7.465 -0.901 1.00 0.00 H new ATOM 0 HA ASP A 86 -3.532 10.212 0.024 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -3.966 9.060 -2.486 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.527 9.749 -2.087 1.00 0.00 H new ATOM 1264 N ARG A 87 -5.563 10.121 1.501 1.00 0.00 N ATOM 1265 CA ARG A 87 -6.776 10.238 2.293 1.00 0.00 C ATOM 1266 C ARG A 87 -7.208 11.703 2.387 1.00 0.00 C ATOM 1267 O ARG A 87 -6.651 12.469 3.172 1.00 0.00 O ATOM 1268 CB ARG A 87 -6.568 9.683 3.704 1.00 0.00 C ATOM 1269 CG ARG A 87 -7.894 9.219 4.310 1.00 0.00 C ATOM 1270 CD ARG A 87 -7.752 7.831 4.939 1.00 0.00 C ATOM 1271 NE ARG A 87 -8.345 6.809 4.047 1.00 0.00 N ATOM 1272 CZ ARG A 87 -8.681 5.573 4.441 1.00 0.00 C ATOM 1273 NH1 ARG A 87 -8.485 5.198 5.712 1.00 0.00 N ATOM 1274 NH2 ARG A 87 -9.213 4.711 3.563 1.00 0.00 N ATOM 0 H ARG A 87 -4.730 10.519 1.935 1.00 0.00 H new ATOM 0 HA ARG A 87 -7.554 9.657 1.797 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.867 8.849 3.671 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.122 10.449 4.338 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -8.223 9.933 5.065 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.663 9.196 3.538 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.699 7.607 5.113 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.247 7.810 5.910 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.508 7.061 3.072 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.080 5.853 6.380 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.741 4.257 6.011 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -9.362 4.996 2.595 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -9.469 3.770 3.863 1.00 0.00 H new ATOM 1288 N SER A 88 -8.198 12.048 1.577 1.00 0.00 N ATOM 1289 CA SER A 88 -8.711 13.407 1.559 1.00 0.00 C ATOM 1290 C SER A 88 -10.232 13.394 1.729 1.00 0.00 C ATOM 1291 O SER A 88 -10.957 12.974 0.828 1.00 0.00 O ATOM 1292 CB SER A 88 -8.328 14.124 0.263 1.00 0.00 C ATOM 1293 OG SER A 88 -8.517 15.533 0.356 1.00 0.00 O ATOM 0 H SER A 88 -8.659 11.410 0.928 1.00 0.00 H new ATOM 0 HA SER A 88 -8.263 13.953 2.390 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.285 13.913 0.027 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.927 13.731 -0.559 1.00 0.00 H new ATOM 0 HG SER A 88 -8.260 15.954 -0.491 1.00 0.00 H new